N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide

C25H28N2O8S — CID 20620647

About N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620647) has the molecular formula C25H28N2O8S and a molecular weight of 516.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 20620647
• Molecular Formula: C25H28N2O8S
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.16
• IUPAC Name: N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
• SMILES: COc1ccc2c(=O)c(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)c[nH]c2c1
• InChI: InChI=1S/C25H28N2O8S/c1-33-19-6-9-21-22(15-19)26-16-17(23(21)28)3-2-12-35-18-4-7-20(8-5-18)36(31,32)25(24(29)27-30)10-13-34-14-11-25/h4-9,15-16,30H,2-3,10-14H2,1H3,(H,26,28)(H,27,29)
• InChIKey: XBPAMHGKIQSVDI-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 144.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620647) is N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide is COc1ccc2c(=O)c(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)c[nH]c2c1.

What is the InChIKey of N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is XBPAMHGKIQSVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O8S/c1-33-19-6-9-21-22(15-19)26-16-17(23(21)28)3-2-12-35-18-4-7-20(8-5-18)36(31,32)25(24(29)27-30)10-13-34-14-11-25/h4-9,15-16,30H,2-3,10-14H2,1H3,(H,26,28)(H,27,29).

What are the key properties of N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?

N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 516.57 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[3-(7-methoxy-4-oxo-1H-quinolin-3-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).